Geometry & MOs

Info

ID:

132723

PubChem CID:

51406930

Reduced:

O5C32H47 (1)

Stoich.:

A5B32C47 (1)

Weight, g/mol:

487.147426

ΔHf, kcal/mol:

-258.3

Dipole, Da:

6.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754996

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl (4R)-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CC[C@@]2([C@@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@@]3(CC[C@@]5([C@@H]4C[C@@](CC5)(C)C(=O)[O-])C)C)C)C

DOS

IR

Vibrations